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molby/Molby.git
2014-09-20
toshinagata1964
Ruby Dialog is rewritten with the use of modalwindow...
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2014-09-12
toshinagata1964
Implement loading/saving of graphiobjects from/to mbsf...
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2014-09-12
toshinagata1964
Clean up the ruby_bind.c file (particularly definition...
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2014-09-08
toshinagata1964
Molecule#insert_graphic is implemented. create/insert...
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2014-09-08
toshinagata1964
In the 'Show MO surface' dialog, the labels for the...
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2014-09-08
toshinagata1964
In the 'Show MO surface' dialog, the labels for the...
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2014-09-03
toshinagata1964
The same problem as r564 was still present during local...
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2014-08-26
toshinagata1964
On importing Gamess log file, 'energy' property values...
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2014-08-25
toshinagata1964
IO#gets_any_eol (called from the customized version...
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2014-07-28
toshinagata1964
'Show MO Surface' is expanded so that the natural orbit...
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2014-07-27
toshinagata1964
import_nbo_log is being implemented (not working yet)
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2014-07-25
toshinagata1964
DRC log from GAMESS can be imported now
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2014-07-22
toshinagata1964
Molecule#export_graphic is also implemented in the...
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2014-07-11
toshinagata1964
export_graphic is implemented as a Ruby command
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2014-07-02
toshinagata1964
On exporting graphics, resolution and background color...
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2014-07-01
toshinagata1964
Fix crash in MO surface window when F orbitals are...
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2014-06-29
toshinagata1964
The electron density surface can be drawn by create_sur...
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2014-06-26
toshinagata1964
The MO information is now stored in the mbsf file.
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2014-06-25
toshinagata1964
The extra property values are now saved into the mbsf...
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2014-06-19
toshinagata1964
Show MO Surface dialog is updated (hopefully improved)
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2014-06-19
toshinagata1964
Show MO Surface dialog is implemented.
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2014-06-18
toshinagata1964
Handling of Ruby subwindows (non-modal dialogs) is...
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2014-06-18
toshinagata1964
'Show Energy' window is implemented.
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2014-06-14
toshinagata1964
On importing Gamess output, the energy values are read...
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2014-06-13
toshinagata1964
Extra properties (assignable for each frame) are introd...
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2014-06-08
toshinagata1964
set_surface_attr now accepts attributes :color and...
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2014-06-05
toshinagata1964
The atomic radii for graphical display are corrected...
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2014-05-27
toshinagata1964
create_surface is somewhat improved (looks like working)
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2014-05-27
toshinagata1964
Reference to the Molby paper is added to the document
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2014-05-22
toshinagata1964
Handling of Gaussian fchk files was causing problems...
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2014-05-21
toshinagata1964
Creating MO surface is improved (not much tested yet)
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2014-05-20
toshinagata1964
Start implementing MO surface display: Molecule.create_...
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2014-04-26
toshinagata1964
Ruby: get_mo_coefficients and get_mo_energy are impleme...
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2014-04-26
toshinagata1964
Version 1.0b2
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2014-04-26
toshinagata1964
MSW: document_home is modified to use the Windows API...
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2014-04-26
toshinagata1964
Mac: 'Window' menu is implemented.
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2014-04-25
toshinagata1964
backquote in MSW is not working well (still under inves...
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2014-04-25
toshinagata1964
Setting the 'Scratch' directory is sorted out.
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2014-04-25
toshinagata1964
MSW: when the program is started twice, the second...
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2014-04-24
toshinagata1964
Running GAMESS causes trouble when the temporary direct...
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2014-04-24
toshinagata1964
Running GAMESS locally on Windows is in trouble (still...
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2014-04-23
toshinagata1964
In reading MM/MD parameters, check criteria for duplica...
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2014-04-23
toshinagata1964
Building on MSW caused 'missing DLL' problems.
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2014-04-11
toshinagata1964
Symmetry Operations dialog was not working for setting...
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2014-04-10
toshinagata1964
GAMESS execution from Ruby script is improved (not...
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2014-04-04
toshinagata1964
GAMESS dialog is modified so that manual editing is...
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2014-04-03
toshinagata1964
sqrt out-of-range error is now avoided in docking a...
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2014-04-03
toshinagata1964
Cleaning up the documents and build scripts (xcode)
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2014-03-28
toshinagata1964
Build scripts are updated (contd)
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2014-03-28
toshinagata1964
Build scripts are updated; now the zip files are create...
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2014-03-28
toshinagata1964
Document is updated; the Japanese version of GPL text...
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2014-03-28
toshinagata1964
Ruby: $error_history global variable is introduced...
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2014-03-28
toshinagata1964
Handling of string encoding in Ruby scripts is improved.
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2014-03-28
toshinagata1964
Xtal: bonds and angles dialog had wrong description...
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2014-03-28
toshinagata1964
Ruby errinfo should be cleared before beginning new...
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2014-03-28
toshinagata1964
History invocation in Molby Console may crash when...
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2014-03-27
toshinagata1964
Embedded Ruby: problems with encoding is being fixed...
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2014-03-26
toshinagata1964
Clean up some of the sources
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2014-03-26
toshinagata1964
Undo action for the 'create_bond' action was incorrect...
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2014-03-26
toshinagata1964
Document: the Japanese version of the Steps 8 and 10...
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2014-03-25
toshinagata1964
Document: the Japanese version of the Steps 8 and 10...
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2014-03-25
toshinagata1964
A couple of bugfix in the Document. The version number...
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2014-03-25
toshinagata1964
Table view on Mac sometimes crashes. Hopefully fixed...
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2014-03-25
toshinagata1964
Document figures in Step 11 are updated
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2014-03-24
toshinagata1964
Document figures in Step 9 are updated.
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2014-03-24
toshinagata1964
Document figures in Step 7 are updated.
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2014-03-24
toshinagata1964
Document figures for Step 6 are updated
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2014-03-24
toshinagata1964
Document figures in Step 5 are updated
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2014-03-24
toshinagata1964
Document figures for part 3 and 4 are updated
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2014-03-24
toshinagata1964
Document: figures in Step Two are updated
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2014-03-24
toshinagata1964
Document: figures in Step One are updated
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2014-03-24
toshinagata1964
Document is being updated.
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2014-03-24
toshinagata1964
VdW exclusion regarding pi-anchors is slightly changed.
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2014-03-24
toshinagata1964
Guess UFF parameters dialog is improved.
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2014-03-24
toshinagata1964
Vdw exclusion failed when pi-anchors were present.
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2014-03-24
toshinagata1964
The subprocess handling is (hopefully) improved.
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2014-03-23
toshinagata1964
Z matrix import is implemented.
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2014-03-23
toshinagata1964
Some coordination motifs are included in the predefined...
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2014-03-23
toshinagata1964
Some add/delete operation caused unexpected termination.
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2014-03-23
toshinagata1964
Ruby-1.8.7 is now removed from the repository.
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2014-03-23
toshinagata1964
Ruby-2.0.0 is now included in the repository.
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2014-03-23
toshinagata1964
Commands in the Xtal menus are improved and documented.
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2014-03-23
toshinagata1964
mopac6 is no longer bundled.
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2014-03-22
toshinagata1964
Some of the Xtal-related functions are improved.
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2014-03-21
toshinagata1964
Obsolete codes are removed
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2014-03-21
toshinagata1964
Property table can now show fractional coordinates
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2014-03-21
toshinagata1964
The menu commands in the Script menu were updated.
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2014-03-21
toshinagata1964
Export graphics (and print preview) is now working...
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2014-03-20
toshinagata1964
Space group table look all right. Export Graphics is...
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2014-03-19
toshinagata1964
Space group table is being updated (still has problems)
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2014-03-18
toshinagata1964
Unit Cell dialog (seems to be working)
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2014-03-18
toshinagata1964
Unit Cell dialog is being modified. Still not working...
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2014-03-18
toshinagata1964
Define Symmetry dialog is being implemented (not done...
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2014-03-18
toshinagata1964
On MSW, resizing subwindows in Ruby Dialog sometimes...
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2014-03-17
toshinagata1964
OpenGL extensions are implemented for Windows
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2014-03-17
toshinagata1964
Printing is implemented (still experimental)
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2014-03-17
toshinagata1964
Line/Ball-and-stick/Space-filling modes are implemented
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2014-03-16
toshinagata1964
'Show' menu is renamed to 'View'. 'Show...' menus are...
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2014-03-15
toshinagata1964
The source codes are cleaned up
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2014-03-15
toshinagata1964
Menu items are rearranged
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